#DFF:MSD
#Model Structure Data File    Energy = 0.0
PBC:   18.071138   18.071138   18.071138   90.000000   90.000000   90.000000  
28
1      C0     6    c2           c_4   -0.129000  -10.493894   -3.361879    -1.463226     1    UNK       1
2      C1     6    c1           c_4   -0.086000  -10.333818   -3.962250    -0.097861     1    UNK       2
3      C2     6    c1           c_4   -0.086000  -10.258104   -5.446765     0.103293     1    UNK       3
4      C3     6    c2           c_4   -0.129000  -10.098221   -6.069769     1.458363     1    UNK       4
5      H4     1    h3           h_1    0.043000  -10.552722   -3.954798    -2.266325     1    UNK       1
6      H5     1    h3           h_1    0.043000  -11.290201   -2.793118    -1.669001     1    UNK       1
7      H6     1    h3           h_1    0.043000  -9.798796    -2.737426    -1.819365     1    UNK       1
8      H7     1    h3           h_1    0.043000  -11.166744   -3.699663     0.376949     1    UNK       2
9      H8     1    h3           h_1    0.043000  -9.444668    -3.635358     0.203329     1    UNK       2
10     H9     1    h3           h_1    0.043000  -9.425117    -5.701784    -0.368109     1    UNK       3
11     H10    1    h3           h_1    0.043000  -11.147193   -5.766089    -0.194489     1    UNK       3
12     H11    1    h3           h_1    0.043000  -10.051930   -7.064623     1.549026     1    UNK       4
13     H12    1    h3           h_1    0.043000  -9.295717    -5.856034     2.015419     1    UNK       4
14     H13    1    h3           h_1    0.043000  -10.787122   -5.911726     2.165783     1    UNK       4
15     C0     6    c2           c_4   -0.129000  -2.285819    -6.374775    -0.421576     2    UNK       5
16     C1     6    c1           c_4   -0.086000  -1.765744    -4.969810    -0.498299     2    UNK       6
17     C2     6    c1           c_4   -0.086000  -0.762604    -4.448820     0.487733     2    UNK       7
18     C3     6    c2           c_4   -0.129000  -0.228425    -3.048340     0.430991     2    UNK       8
19     H4     1    h3           h_1    0.043000  -1.963860    -6.988381     0.299404     2    UNK       5
20     H5     1    h3           h_1    0.043000  -3.264392    -6.539556    -0.298378     2    UNK       5
21     H6     1    h3           h_1    0.043000  -2.149195    -7.001009    -1.189106     2    UNK       5
22     H7     1    h3           h_1    0.043000  -2.570629    -4.408810    -0.338296     2    UNK       6
23     H8     1    h3           h_1    0.043000  -1.282948    -4.941635    -1.366790     2    UNK       6
24     H9     1    h3           h_1    0.043000   0.037562    -5.008352     0.321061     2    UNK       7
25     H10    1    h3           h_1    0.043000  -1.250119    -4.475528     1.349555     2    UNK       7
26     H11    1    h3           h_1    0.043000   0.439901    -2.740252     1.108131     2    UNK       8
27     H12    1    h3           h_1    0.043000   0.262126    -2.732829    -0.381301     2    UNK       8
28     H13    1    h3           h_1    0.043000  -0.853071    -2.271376     0.509427     2    UNK       8
26
1      2      1     
2      3      1     
3      4      1     
1      5      1     
1      6      1     
1      7      1     
2      8      1     
2      9      1     
3      10     1     
3      11     1     
4      12     1     
4      13     1     
4      14     1     
15     16     1     
16     17     1     
17     18     1     
15     19     1     
15     20     1     
15     21     1     
16     22     1     
16     23     1     
17     24     1     
17     25     1     
18     26     1     
18     27     1     
18     28     1     
